2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid

C15H20N2O5 — CID 174666957

IUPAC2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cn1cccc(C(C)=O)c1=O)C(=O)O
InChIInChI=1S/C15H20N2O5/c1-4-9(2)13(15(21)22)16-12(19)8-17-7-5-6-11(10(3)18)14(17)20/h5-7,9,13H,4,8H2,1-3H3,(H,16,19)(H,21,22)
InChIKeyCQYBLQXOULRNGT-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.67
Rot. Bonds7

About 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid

2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid (PubChem CID 174666957) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
PubChem CID174666957
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cn1cccc(C(C)=O)c1=O)C(=O)O
InChIInChI=1S/C15H20N2O5/c1-4-9(2)13(15(21)22)16-12(19)8-17-7-5-6-11(10(3)18)14(17)20/h5-7,9,13H,4,8H2,1-3H3,(H,16,19)(H,21,22)
InChIKeyCQYBLQXOULRNGT-UHFFFAOYSA-N
XLogP0.67
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid (CID 174666957) is 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)Cn1cccc(C(C)=O)c1=O)C(=O)O.
What is the InChIKey of 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid?
The InChIKey is CQYBLQXOULRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-9(2)13(15(21)22)16-12(19)8-17-7-5-6-11(10(3)18)14(17)20/h5-7,9,13H,4,8H2,1-3H3,(H,16,19)(H,21,22).
What are the key properties of 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid?
2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid has a molecular weight of 308.33 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 174666957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).